SCHEMBL3586617

SCHEMBL3586617

CCNc1ccc(Cl)cc1C(=O)N(CCc1ccc(Cl)cc1)Cc1ccc(C(F)(F)C(F)(F)F)cc1

nearest known ligand 0.41

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
C5AR1 P21730 1/20 0.41
F10 P00742 6/20 0.36
LPAR1 Q92633 2/20 0.36
HSP90AA1 P07900 2/20 0.36
LPAR5 Q9H1C0 1/20 0.36
KLKB1 P03952 1/20 0.35
OPRM1 P35372 1/20 0.35
OPRD1 P41143 1/20 0.35
GAA P10253 2/20 0.35
KDM4E B2RXH2 1/20 0.35
ALDH1A1 P00352 1/20 0.35
POLB P06746 1/20 0.35
CTDSP1 Q9GZU7 1/20 0.35
NLRP3 Q96P20 1/20 0.34
LMNA P02545 1/20 0.34
CA12 O43570 1/20 0.34
CA1 P00915 1/20 0.34
CA2 P00918 1/20 0.34
CA4 P22748 1/20 0.34
CA9 Q16790 1/20 0.34

Click a target to see other patent compounds predicted against it — the reverse direction, in place.

Similar compounds — the chemically nearest patent molecules

Nearest neighbours by Morgan-fingerprint cosine across the patent-compound collection, with each neighbour's top predicted target and the predicted targets it shares with this molecule.

Compoundsimilaritytop predictedshared targets
SCHEMBL3587697 0.92 C5AR1 (0.41) C5AR1F10LPAR1HSP90AA1LPAR5
SCHEMBL3583512 0.90 LMNA (0.41) C5AR1LPAR1LPAR5LMNA
SCHEMBL3571491 0.90 C5AR1 (0.42) C5AR1F10LPAR1HSP90AA1LPAR5
SCHEMBL3581531 0.89 C5AR1 (0.43) C5AR1F10LPAR1HSP90AA1LPAR5
SCHEMBL3579102 0.86 LPAR1 (0.41) C5AR1LPAR1LPAR5NLRP3LPAR2
SCHEMBL3581435 0.86 TP53 (0.41) C5AR1F10LPAR1HSP90AA1LPAR5
SCHEMBL3571528 0.86 TP53 (0.41) C5AR1F10LPAR1HSP90AA1LPAR5
SCHEMBL3586383 0.86 NLRP3 (0.39) C5AR1F10LPAR1LPAR5GAA
SCHEMBL3584582 0.83 LMNA (0.38) C5AR1F10LPAR1LPAR5GAA
SCHEMBL3574141 0.83 LPAR1 (0.41) C5AR1LPAR1HSP90AA1LPAR5OPRM1

Similarity is cosine over the 2,048-bit Morgan fingerprint (≈ Tanimoto). Identical fingerprints score 1.00.

Patent provenance — the patents this molecule appears in, and who filed them

Claimed or disclosed in 2 patents. claimed = in the patent's claims; disclosed = body only.

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-7678818-B2 Anthranilamide and 2-amino-heteroarene-carboxamide compounds HOFFMANN-LA ROCHE INC. (US) 2010-03-16 US claimed
EP-1984340-B1 ANTHRANILAMIDE/2-AMINO-HETEROARENE CARBOXAMIDE DERIVATIVES HOFFMANN LA ROCHE (CH) 2012-06-27 EP disclosed